2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole

C14H24N2O — CID 70849920

IUPAC2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
SMILESCCC1CCC(c2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C14H24N2O/c1-5-10-6-8-11(9-7-10)12-15-16-13(17-12)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIDEIZHWKISNBAA-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.05
Rot. Bonds2

About 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole

2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole (PubChem CID 70849920) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
PubChem CID70849920
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
SMILESCCC1CCC(c2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C14H24N2O/c1-5-10-6-8-11(9-7-10)12-15-16-13(17-12)14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIDEIZHWKISNBAA-UHFFFAOYSA-N
XLogP4.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole (CID 70849920) is 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole is CCC1CCC(c2nnc(C(C)(C)C)o2)CC1.
What is the InChIKey of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
The InChIKey is IDEIZHWKISNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-10-6-8-11(9-7-10)12-15-16-13(17-12)14(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole has a molecular weight of 236.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole is sourced from PubChem (CID 70849920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).